methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate

C12H21NO3 — CID 55028562

IUPACmethyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCC1)C(C)C
InChIInChI=1S/C12H21NO3/c1-9(2)13(8-11(14)16-3)12(15)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3
InChIKeyHUPDGNQZRRFZPI-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds4

About methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate

methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate (PubChem CID 55028562) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
PubChem CID55028562
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCC1)C(C)C
InChIInChI=1S/C12H21NO3/c1-9(2)13(8-11(14)16-3)12(15)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3
InChIKeyHUPDGNQZRRFZPI-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 54942390
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78885489
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78878024
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate (CID 55028562) is methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)C1CCCC1)C(C)C.
What is the InChIKey of methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate?
The InChIKey is HUPDGNQZRRFZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)13(8-11(14)16-3)12(15)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate?
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 55028562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).